Licoricesaponin H2
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR304290
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR304290 contains the MS2 mass spectrum of Licoricesaponin H2 with the InChIkey LPLVUJXQOOQHMX-UHFFFAOYSA-N.
Source: Licoricesaponin H2
Chemical Info
| InChI | InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54) |
|---|---|
| SMILES | CC1(C)C(CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O)OC1OC(C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O |
| InChI Key | LPLVUJXQOOQHMX-UHFFFAOYSA-N |
| Molecular Formula | C42H62O16 |
| Exact Mass | 822.942 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 5f906c30-6389-4610-9782-da08eb718e4f |
| Package id | msbnk-riken-pr304290 |
| Resource type | HTML |
| State | active |